2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine

C18H24N2S — CID 64840995

IUPAC2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCCC1CN(Cc2ccsc2)C(Cc2ccccc2)CN1
InChIInChI=1S/C18H24N2S/c1-2-17-13-20(12-16-8-9-21-14-16)18(11-19-17)10-15-6-4-3-5-7-15/h3-9,14,17-19H,2,10-13H2,1H3
InChIKeyKOLRLFIOVYBOHL-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.54
Rot. Bonds5

About 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine

2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64840995) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64840995
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCCC1CN(Cc2ccsc2)C(Cc2ccccc2)CN1
InChIInChI=1S/C18H24N2S/c1-2-17-13-20(12-16-8-9-21-14-16)18(11-19-17)10-15-6-4-3-5-7-15/h3-9,14,17-19H,2,10-13H2,1H3
InChIKeyKOLRLFIOVYBOHL-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,5-tribenzylpiperazine
CID 64850137
2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
CID 80696999
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
CID 64842935
2-benzyl-5-ethyl-1-pentylpiperazine
CID 64843710
2-benzyl-5-ethyl-1-methylpiperazine
CID 64843712
2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
CID 64842547
1-benzyl-5-ethyl-2-phenylpiperazine
CID 64841572
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
1,2-dibenzyl-5-propan-2-ylpiperazine
CID 64838668
1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone
CID 64978280
2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842232
3-[(2,5-diethylpiperazin-1-yl)methyl]benzonitrile
CID 64977771

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine (CID 64840995) is 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine is CCC1CN(Cc2ccsc2)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is KOLRLFIOVYBOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-2-17-13-20(12-16-8-9-21-14-16)18(11-19-17)10-15-6-4-3-5-7-15/h3-9,14,17-19H,2,10-13H2,1H3.
What are the key properties of 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine?
2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 300.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64840995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).